Geometry & MOs

Info

ID:	149588
PubChem CID:	53789262
Reduced:	NS2O3C21H37 (1)
Stoich.:	AB2C3D21E37 (1)
Weight, g/mol:	235.006992
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	3.1
IP(EA), eV:	-8.63(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(2-chloroethyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CN(C(=O)CCCCSC[C@H]1[C@H]2CC[C@@H]([C@H]1CSCC3CCCCC3)O2)O

DOS

IR

Vibrations